CID 165899456

(3e)-3,4-diiodobut-3-en-1-ol

Structural Information

Molecular Formula
C4H6I2O
SMILES
C(CO)/C(=C/I)/I
InChI
InChI=1S/C4H6I2O/c5-3-4(6)1-2-7/h3,7H,1-2H2/b4-3-
InChIKey
KFWRSOSXIKPECC-ARJAWSKDSA-N
Compound name
(Z)-3,4-diiodobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.8508 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.85808 134.9
[M+Na]+ 346.84002 127.8
[M-H]- 322.84352 123.3
[M+NH4]+ 341.88462 145.7
[M+K]+ 362.81396 138.5
[M+H-H2O]+ 306.84806 125.0
[M+HCOO]- 368.84900 145.6
[M+CH3COO]- 382.86465 191.7
[M+Na-2H]- 344.82547 122.4
[M]+ 323.85025 129.5
[M]- 323.85135 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.